7LVI
CRYSTAL STRUCTURE OF AP2 ASSOCIATED KINASE 1 ISOFORM 1 COMPLEXED WITH LIGAND (2R)-2-AMINO-N-[3-METHOXY-4- (1,3-OXAZOL-5-YL)PHENYL]-4-METHYLPENTANAMIDE
Summary for 7LVI
Entry DOI | 10.2210/pdb7lvi/pdb |
Descriptor | AP2-associated protein kinase 1, (2R,3R)-N-[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]-3-(propan-2-yl)piperidine-2-carboxamide, SULFATE ION, ... (5 entities in total) |
Functional Keywords | kinase, aak1, ligand, transferase, transferase-transferase inhibitor complex, transferase/transferase inhibitor |
Biological source | Mus musculus (Mouse) |
Total number of polymer chains | 2 |
Total formula weight | 73036.64 |
Authors | Muckelbauer, J.K. (deposition date: 2021-02-25, release date: 2021-07-28, Last modification date: 2024-04-03) |
Primary citation | Hartz, R.A.,Ahuja, V.T.,Nara, S.J.,Kumar, C.M.V.,Brown, J.M.,Bristow, L.J.,Rajamani, R.,Muckelbauer, J.K.,Camac, D.,Kiefer, S.E.,Hunihan, L.,Gulianello, M.,Lewis, M.,Easton, A.,Lippy, J.S.,Surti, N.,Pattipati, S.N.,Dokania, M.,Elavazhagan, S.,Dandapani, K.,Hamman, B.D.,Allen, J.,Kostich, W.,Bronson, J.J.,Macor, J.E.,Dzierba, C.D. Discovery, Structure-Activity Relationships, and In Vivo Evaluation of Novel Aryl Amides as Brain Penetrant Adaptor Protein 2-Associated Kinase 1 (AAK1) Inhibitors for the Treatment of Neuropathic Pain. J.Med.Chem., 64:11090-11128, 2021 Cited by PubMed: 34270254DOI: 10.1021/acs.jmedchem.1c00472 PDB entries with the same primary citation |
Experimental method | X-RAY DIFFRACTION (2.2 Å) |
Structure validation
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